element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:16:52      -29.167454         0.870491
BFGS:    1 16:16:52      -29.177590         0.727881
BFGS:    2 16:16:52      -29.198877         0.102340
BFGS:    3 16:16:52      -29.199380         0.058668
BFGS:    4 16:16:52      -29.199448         0.018586
BFGS:    5 16:16:52      -29.199459         0.014423
BFGS:    6 16:16:52      -29.199473         0.005806
BFGS:    7 16:16:52      -29.199476         0.002321
BFGS:    8 16:16:52      -29.199477         0.000320
BFGS:    9 16:16:52      -29.199477         0.000018
BFGS:   10 16:16:52      -29.199477         0.000001
BFGS:   11 16:16:52      -29.199477         0.000000
BFGS:   12 16:16:53      -29.199477         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.1928869444197705e-10 eV/Angstrom
Maximum stress component: 7.39926860350606e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06250498]
 [0.66666666 0.33333334 0.56250498]
 [0.66666666 0.33333334 0.93749502]
 [0.33333333 0.66666667 0.43749502]]
cellpar =  Cell([[2.5150844163636177, -2.783389493083419e-19, 2.5020831454081604e-38], [-1.2575422081818088, 2.178126997233252, 2.335239823442242e-37], [-2.0394357185207156e-36, -5.2695164674546636e-36, 4.107288987898781]])
forces =  [[-8.26688237e-32  1.43186603e-31 -3.19288694e-10]
 [ 5.78681766e-31 -4.29559809e-31 -3.19288694e-10]
 [ 3.30675295e-31 -1.43186603e-31  3.19288694e-10]
 [-2.48006471e-31  1.43186603e-31  3.19288694e-10]]
stress =  [-1.99916256e-11 -1.99916256e-11 -7.39926860e-11  2.29631123e-32
  1.59093109e-33 -6.86225273e-27]
energy per atom =  -7.299869188681515
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0